Geometry & MOs

Info

ID:	55034
PubChem CID:	17389683
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-193.93
Dipole, Da:	2.06
IP(EA), eV:	-9.09(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)C1CCCN1.C(=O)(C(=O)O)O

DOS

IR

Vibrations